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7547-97-9

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7547-97-9 Structure

7547-97-9 Structure
IdentificationBack Directory
[Name]

TRANS-1-PROPEN-1-YLBORONIC ACID
[CAS]

7547-97-9
[Synonyms]

Trans-1-Propen-1-yL
Prop-1-en-1-ylboronic acid
(E)-Prop-1-enylboronic acid
trans-1-Propeneboronic acid
trans-1-Propenylboronic acid
Antipolypropylene boric acid
(E)-1-propen-1-yl-boronicacid
trans-1-Propene-1-boronic Acid
(E)-prop-1-en-1-ylboronic acid
TRANS-1-PROPEN-1-YLBORONIC ACID
[(1E)-prop-1-en-1-yl]boronic acid
Boronic acid, B-(1E)-1-propen-1-yl-
trans-1-Propen-1-ylboronic acid >=95.0%
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C3H7BO2
[MDL Number]

MFCD02179501
[MOL File]

7547-97-9.mol
[Molecular Weight]

85.9
Chemical PropertiesBack Directory
[Melting point ]

123-127 °C(lit.)
[Boiling point ]

175.6±23.0 °C(Predicted)
[density ]

0.972 g/cm3(Temp: 19 °C)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Very Slightly, Heated), Methanol (Very Slightly)
[form ]

Solid
[pka]

9.80±0.43(Predicted)
[color ]

Pale Beige
[InChI]

InChI=1S/C3H7BO2/c1-2-3-4(5)6/h2-3,5-6H,1H3/b3-2+
[InChIKey]

CBMCZKMIOZYAHS-NSCUHMNNSA-N
[SMILES]

C(=C/C)\B(O)O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
[WGK Germany ]

3
[HS Code ]

2931900090
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

Reactant for:
  • Palladium-phosphine-catalyzed Suzuki-Miyaura coupling reactions
  • Cu(II)-mediated Ullmann-type coupling

Reactant for preparation of:
  • Alkynylphenoxyacetic acids as DP2 receptor antagonists for treatment of allergic inflammatory diseases
  • Tetrahydrobenzothiophenes as conformationally restricted enol-mimic inhibitors of type II dehydroquinase via Paal-Knorr synthesis involving Suzuki coupling
  • Highly substituted benzannulated cyclooctanol derivatives by samarium diiodide-mediated cyclization
  • Stereospecific dienes via nickel-catalyzed three-component reductive coupling with alkynes and enones
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-1-PROPEN-1-YLBORONIC ACID(7547-97-9)1HNMR
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